N-(2-butoxy-5-methoxy-phenyl)-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide

Systemtic Name: N-(2-butoxy-5-methoxy-phenyl)-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-(2-butoxy-5-methoxy-phenyl)-3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-(2-butoxy-5-methoxyphenyl)-3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(2-butoxy-5-methoxyphenyl)-3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-(2-butoxy-5-methoxy-phenyl)-3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)OC)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)OC)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C

InChI

InChI=1S/C20H25N5O4/c1-4-5-10-29-17-7-6-14(28-3)11-16(17)23-18(26)8-9-25-13-21-19-15(20(25)27)12-22-24(19)2/h6-7,11-13H,4-5,8-10H2,1-3H3,(H,23,26)